Information card for entry 8102683

Structure parameters

• Chemical name: triaqua-(2,2'-bipyridyl)-( 2,3-naphthalenedicarboxylic acid) nickel (II), Ni(C~12~H~6~O~4~)(C~10~H~8~N~2~)(H~2~O)~3~
• Formula: C22 H20 N2 Ni O7
• Calculated formula: C22 H20 N2 Ni O7
• SMILES: [Ni]1([n]2c(c3cccc[n]13)cccc2)(OC(=O)c1cc2ccccc2cc1C(=O)[O-])([OH2])([OH2])[OH2]
• Title of publication: Crystal structure of triaqua(2,2'-bipyridyl)-(2,3-naphthalenedicarboxylato)nickel(II), Ni(H2O)3(C10H8N2)(C12H6O4)
• Authors of publication: Chun-Sen Liu; Qiang Zhang; Min Hu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 449
• a: 7.2062 ± 0.0005 Å
• b: 12.222 ± 0.0006 Å
• c: 23.1761 ± 0.0018 Å
• α: 90°
• β: 94.529 ± 0.007°
• γ: 90°
• Cell volume: 2034.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No